3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C11H13N3O2S2 — CID 104868457

IUPAC3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-3-9(12)5-10/h2-6,14H,7,12H2,1H3
InChIKeyNEUCHWMQBJFNKD-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 104868457) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID104868457
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-3-9(12)5-10/h2-6,14H,7,12H2,1H3
InChIKeyNEUCHWMQBJFNKD-UHFFFAOYSA-N
XLogP1.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868462
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739054
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 104868457) is 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is NEUCHWMQBJFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-3-9(12)5-10/h2-6,14H,7,12H2,1H3.
What are the key properties of 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 104868457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).